GIM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.49Å | |
C1 | N10 | doub | 1.31Å | 1.35Å | Aromatic |
C1 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
N10 | C5 | sing | 1.47Å | 1.50Å | |
N10 | C8 | sing | 1.34Å | 1.34Å | Aromatic |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H6C1 | sing | 1.09Å | 1.10Å | |
C6 | H6C2 | sing | 1.09Å | 1.10Å | |
C7 | C8 | doub | 1.35Å | 1.38Å | Aromatic |
C7 | N1 | sing | 1.37Å | 1.36Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
O3 | HB | sing | 0.97Å | 0.95Å | |
O2 | HA | sing | 0.97Å | 0.95Å | |
O4 | HC | sing | 0.97Å | 0.95Å | |
O6 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | N10 | 125.6° | 124.8° |
C2 | C1 | N1 | 126.3° | 126.4° |
C1 | C2 | C3 | 109.6° | 108.4° |
C1 | C2 | O2 | 111.3° | 109.6° |
C1 | C2 | H2 | 107.6° | 109.7° |
N10 | C1 | N1 | 108.1° | 108.8° |
C1 | N10 | C5 | 122.3° | 124.8° |
C1 | N10 | C8 | 109.0° | 109.0° |
C1 | N1 | C7 | 108.0° | 107.2° |
C1 | N1 | H1 | 126.0° | 126.4° |
C3 | C2 | O2 | 107.7° | 109.7° |
C3 | C2 | H2 | 111.1° | 109.7° |
C2 | C3 | C4 | 110.9° | 108.9° |
C2 | C3 | O3 | 107.8° | 109.6° |
C2 | C3 | H3 | 110.1° | 109.6° |
O2 | C2 | H2 | 109.5° | 109.7° |
C2 | O2 | HA | 109.5° | 106.8° |
C5 | N10 | C8 | 128.6° | 126.2° |
N10 | C5 | C4 | 104.7° | 109.1° |
N10 | C5 | C6 | 112.8° | 109.5° |
N10 | C5 | H5 | 111.5° | 109.5° |
N10 | C8 | C7 | 107.1° | 108.1° |
N10 | C8 | H8 | 126.4° | 125.9° |
C4 | C3 | O3 | 110.7° | 109.6° |
C4 | C3 | H3 | 107.1° | 109.6° |
C3 | C4 | C5 | 106.9° | 109.3° |
C3 | C4 | O4 | 107.7° | 109.5° |
C3 | C4 | H4 | 113.2° | 109.5° |
O3 | C3 | H3 | 110.2° | 109.6° |
C3 | O3 | HB | 109.5° | 106.8° |
C5 | C4 | O4 | 112.2° | 109.5° |
C5 | C4 | H4 | 108.9° | 109.5° |
C4 | C5 | C6 | 112.4° | 109.5° |
C4 | C5 | H5 | 111.9° | 109.5° |
O4 | C4 | H4 | 108.1° | 109.5° |
C4 | O4 | HC | 109.5° | 106.8° |
C6 | C5 | H5 | 103.7° | 109.6° |
C5 | C6 | O6 | 109.5° | 109.5° |
C5 | C6 | H6C1 | 109.4° | 109.4° |
C5 | C6 | H6C2 | 109.5° | 109.5° |
O6 | C6 | H6C1 | 109.5° | 109.5° |
O6 | C6 | H6C2 | 109.4° | 109.5° |
C6 | O6 | H6 | 109.5° | 106.8° |
H6C1 | C6 | H6C2 | 109.5° | 109.4° |
C8 | C7 | N1 | 107.8° | 106.8° |
C8 | C7 | H7 | 126.1° | 126.6° |
C7 | C8 | H8 | 126.4° | 125.9° |
N1 | C7 | H7 | 126.1° | 126.5° |
C7 | N1 | H1 | 126.0° | 126.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | N10 | N1 | 179.9° | 180.0° |
C1 | C2 | C3 | O2 | 121.3° | 119.7° |
C1 | C2 | C3 | H2 | 118.8° | 119.8° |
C1 | C2 | O2 | H2 | 118.8° | 120.5° |
C2 | C1 | N10 | C5 | 1.5° | 0.0° |
C2 | C1 | N10 | C8 | 178.1° | 179.9° |
C1 | C2 | C3 | C4 | 36.1° | 48.1° |
C1 | C2 | C3 | O3 | 157.4° | 168.0° |
C1 | C2 | C3 | H3 | 82.3° | 71.8° |
C2 | C1 | N1 | C7 | 178.9° | 179.9° |
C2 | C1 | N1 | H1 | 1.1° | 0.1° |
C1 | C2 | O2 | HA | 164.8° | 61.0° |
N10 | C1 | C2 | C3 | 0.7° | 15.8° |
N10 | C1 | C2 | O2 | 119.8° | 135.5° |
N10 | C1 | C2 | H2 | 120.3° | 104.0° |
C1 | N10 | C5 | C8 | 175.8° | 179.8° |
C1 | N10 | C5 | C4 | 29.9° | 17.3° |
C1 | N10 | C5 | C6 | 152.4° | 137.3° |
C1 | N10 | C5 | H5 | 91.3° | 102.5° |
C1 | N10 | C8 | C7 | 2.0° | 0.1° |
N10 | C1 | N1 | C7 | 1.2° | 0.1° |
C1 | N10 | C8 | H8 | 178.0° | 180.0° |
N10 | C1 | N1 | H1 | 178.8° | 179.9° |
N1 | C1 | C2 | C3 | 179.2° | 164.2° |
N1 | C1 | C2 | O2 | 60.1° | 44.5° |
N1 | C1 | C2 | H2 | 59.9° | 76.0° |
N1 | C1 | N10 | C5 | 178.5° | 180.0° |
N1 | C1 | N10 | C8 | 2.0° | 0.1° |
C1 | N1 | C7 | C8 | 0.1° | 0.0° |
C1 | N1 | C7 | H1 | 180.0° | 180.0° |
C1 | N1 | C7 | H7 | 179.9° | 179.9° |
C3 | C2 | O2 | H2 | 121.0° | 120.5° |
C2 | C3 | C4 | O3 | 119.6° | 119.9° |
C2 | C3 | C4 | H3 | 120.2° | 119.8° |
C2 | C3 | O3 | H3 | 120.2° | 120.3° |
C2 | C3 | C4 | C5 | 70.1° | 68.3° |
C2 | C3 | C4 | O4 | 169.2° | 171.8° |
C2 | C3 | C4 | H4 | 49.8° | 51.7° |
C2 | C3 | O3 | HB | 114.4° | 60.6° |
C3 | C2 | O2 | HA | 44.6° | 180.0° |
O2 | C2 | C3 | C4 | 157.3° | 167.8° |
O2 | C2 | C3 | O3 | 81.3° | 72.3° |
O2 | C2 | C3 | H3 | 39.0° | 48.0° |
H2 | C2 | C3 | C4 | 82.7° | 71.7° |
H2 | C2 | C3 | O3 | 38.6° | 48.2° |
H2 | C2 | C3 | H3 | 158.9° | 168.5° |
H2 | C2 | O2 | HA | 76.4° | 59.5° |
N10 | C5 | C4 | C3 | 63.3° | 50.2° |
N10 | C5 | C4 | C6 | 122.8° | 119.9° |
N10 | C5 | C4 | H5 | 121.0° | 119.9° |
N10 | C5 | C4 | O4 | 178.9° | 170.1° |
N10 | C5 | C4 | H4 | 59.4° | 69.8° |
N10 | C5 | C6 | H5 | 120.8° | 120.2° |
N10 | C5 | C6 | O6 | 53.0° | 65.2° |
N10 | C5 | C6 | H6C1 | 173.0° | 54.8° |
N10 | C5 | C6 | H6C2 | 67.0° | 174.8° |
C5 | N10 | C8 | C7 | 178.3° | 180.0° |
C5 | N10 | C8 | H8 | 1.7° | 0.1° |
C8 | N10 | C5 | C4 | 145.9° | 162.5° |
C8 | N10 | C5 | C6 | 23.4° | 42.6° |
C8 | N10 | C5 | H5 | 92.8° | 77.6° |
N10 | C8 | C7 | H8 | 180.0° | 179.9° |
N10 | C8 | C7 | N1 | 1.3° | 0.1° |
N10 | C8 | C7 | H7 | 178.7° | 180.0° |
C4 | C3 | O3 | H3 | 118.3° | 120.3° |
C3 | C4 | C5 | O4 | 117.8° | 119.9° |
C3 | C4 | C5 | H4 | 122.6° | 120.0° |
C3 | C4 | O4 | H4 | 122.6° | 120.1° |
C3 | C4 | C5 | C6 | 173.9° | 170.1° |
C3 | C4 | C5 | H5 | 57.7° | 69.7° |
C4 | C3 | O3 | HB | 7.1° | 180.0° |
C3 | C4 | O4 | HC | 84.1° | 60.2° |
O3 | C3 | C4 | C5 | 170.3° | 171.8° |
O3 | C3 | C4 | O4 | 49.6° | 51.9° |
O3 | C3 | C4 | H4 | 69.8° | 68.2° |
H3 | C3 | C4 | C5 | 50.1° | 51.5° |
H3 | C3 | C4 | O4 | 70.6° | 68.4° |
H3 | C3 | C4 | H4 | 170.0° | 171.5° |
H3 | C3 | O3 | HB | 125.4° | 59.7° |
C5 | C4 | O4 | H4 | 120.0° | 120.1° |
C4 | C5 | C6 | H5 | 121.1° | 120.2° |
C4 | C5 | C6 | O6 | 65.1° | 175.2° |
C4 | C5 | C6 | H6C1 | 54.9° | 64.8° |
C4 | C5 | C6 | H6C2 | 174.9° | 55.1° |
C5 | C4 | O4 | HC | 158.6° | 180.0° |
O4 | C4 | C5 | C6 | 56.1° | 70.0° |
O4 | C4 | C5 | H5 | 60.1° | 50.2° |
H4 | C4 | C5 | C6 | 63.5° | 50.1° |
H4 | C4 | C5 | H5 | 179.7° | 170.3° |
H4 | C4 | O4 | HC | 38.5° | 59.9° |
C5 | C6 | O6 | H6C1 | 120.0° | 120.0° |
C5 | C6 | O6 | H6C2 | 120.0° | 120.0° |
C5 | C6 | H6C1 | H6C2 | 120.0° | 119.9° |
C5 | C6 | O6 | H6 | 74.7° | 180.0° |
H5 | C5 | C6 | O6 | 173.8° | 55.0° |
H5 | C5 | C6 | H6C1 | 66.2° | 175.0° |
H5 | C5 | C6 | H6C2 | 53.8° | 65.0° |
O6 | C6 | H6C1 | H6C2 | 120.0° | 120.1° |
H6C1 | C6 | O6 | H6 | 165.3° | 60.0° |
H6C2 | C6 | O6 | H6 | 45.3° | 60.0° |
C8 | C7 | N1 | H7 | 180.0° | 179.9° |
C8 | C7 | N1 | H1 | 179.9° | 180.0° |
N1 | C7 | C8 | H8 | 178.7° | 180.0° |
H7 | C7 | C8 | H8 | 1.3° | 0.1° |
H7 | C7 | N1 | H1 | 0.0° | 0.1° |